5-(4-methoxy-phenyl)-[1,2,4]triazin-3-ylamine | 65943-31-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-(4-methoxy-phenyl)-[1,2,4]triazin-3-ylamine
• 英文别名: 5-(4-Methoxyphenyl)-1,2,4-triazin-3-amine
• CAS: 65943-31-9
• 化学式: C₁₀H₁₀N₄O
• mdl: MFCD06739742
• 分子量: 202.216
• InChiKey: KSKVNIXIUYNIBP-UHFFFAOYSA-N

物化性质

• 熔点：
  214-216 °C
• 沸点：
  452.4±47.0 °C(Predicted)
• 密度：
  1.258±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  73.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-(4-methoxyphenyl)-1H-imidazol-1,2-diamine 生成 5-(4-methoxy-phenyl)-[1,2,4]triazin-3-ylamine
  参考文献：
  名称：

  NAKAJIMA M.; HISADA R.; ANSELME J.-P., J. ORG. CHEM., 1978, 43, NO 13, 2693-2696

  摘要：

  DOI：

文献信息

• [EN] 1,2,4-TRIAZINE-4-AMINE DERIVATIVES<br/>[FR] DÉRIVÉS DE 1,2,4-TRIAZINE-4-AMINE
  申请人：HEPTARES THERAPEUTICS LTD

  公开号：WO2011095625A1

  公开（公告）日：2011-08-11

  According to the invention there is provided a compound of formula A1 which may be useful in the treatment of a condition or disorder ameliorated by the inhibition of the A1- A2b or, particularly, the A2a receptor wherein the compound of formula A1 has the structure, wherein, A represents Cy1 or HetA; Cy1 represents a 5- to 14-membered aromatic, fully saturated or partially unsaturated carbocyclic ring system comprising one, two or three rings, which Cy1 group is optionally substituted by one or more R4a substituents; HetA represents a 5- to 14-membered heterocyclic group that may be aromatic, fully saturated or partially unsaturated, and which contains one or more heteroatoms selected from O, S and N, which heterocyclic group may comprise one, two or three rings and which HetA group is optionally substituted by one or more R4b substituents; B represents a Cy2 or HetB; Cy2 represents a 3- to 10-membered aromatic, fully saturated or partially unsaturated carbocyclic ring system comprising one or two rings, which Cy2 group is optionally substituted by one or more R4c substituents; HetB represents a 3- to 10-membered heterocyclic group that may be aromatic, fully saturated or partially unsaturated, and which contains one or more heteroatoms selected from O, S and N, which heterocyclic group may comprise one or two rings and which HetB group is optionally substituted by one or more R4d substituents.

  根据该发明提供了一种A1式化合物，可能对通过抑制A1-A2b或特别是A2a受体而得到改善的疾病或紊乱治疗有用，其中A1式化合物具有以下结构，其中，A代表Cy1或HetA；Cy1代表一个由一个、两个或三个环组成的5-至14-成员芳香、完全饱和或部分不饱和的碳环系统，该Cy1基团可选择地被一个或多个R4a取代基所取代；HetA代表一个由一个、两个或三个环组成的5-至14-成员杂环基团，可能是芳香、完全饱和或部分不饱和的，并且含有从O、S和N中选择的一个或多个杂原子，该杂环基团可能包括一个、两个或三个环，且该HetA基团可选择地被一个或多个R4b取代基所取代；B代表Cy2或HetB；Cy2代表一个由一个或两个环组成的3-至10-成员芳香、完全饱和或部分不饱和的碳环系统，该Cy2基团可选择地被一个或多个R4c取代基所取代；HetB代表一个由一个或两个环组成的3-至10-成员杂环基团，可能是芳香、完全饱和或部分不饱和的，并且含有从O、S和N中选择的一个或多个杂原子，该杂环基团可能包括一个或两个环，且该HetB基团可选择地被一个或多个R4d取代基所取代。
• A Regioselective Approach to 5-Substituted-3-amino-1,2,4-triazines
  作者：John Limanto、Richard A. Desmond、Donald R. Gauthier、Paul N. Devine、Robert A. Reamer、R. P. Volante

  DOI：10.1021/ol034602+

  日期：2003.6.1

  Nucleophilic displacement of readily available alpha,alpha-dibromoketones with excess morpholine gave the corresponding ketoaminals, which upon condensation with aminoguanidine in MeOH in the presence of AcOH afforded 5-substituted-3-amino-1,2,4-triazines in >95% regioselectivity and 45-76% isolated yield. [reaction: see text]

  容易获得的α，α-二溴酮与过量的吗啉进行亲核置换，得到相应的酮缩醛，在OHOH存在下与氨基胍在MeOH中缩合后，得到95％以上的5-取代的3-氨基-1,2,4-三嗪区域选择性和45-76％的分离产率。[反应：看文字]
• 1,2,4-TRIAZINE-4-AMINE DERIVATIVES
  申请人：Congreve Miles Stuart

  公开号：US20130029963A1

  公开（公告）日：2013-01-31

  According to the invention there is provided a compound of formula A1 which may be useful in the treatment of a condition or disorder ameliorated by the inhibition of the A 1 -A 2b or, particularly, the A 2a receptor wherein the compound of formula A1 has the structure, wherein, A represents Cy 1 or Het A ; Cy 1 represents a 5- to 14-membered aromatic, fully saturated or partially unsaturated carbocyclic ring system comprising one, two or three rings, which Cy 1 group is optionally substituted by one or more R 4a substituents; Het A represents a 5- to 14-membered heterocyclic group that may be aromatic, fully saturated or partially unsaturated, and which contains one or more heteroatoms selected from O, S and N, which heterocyclic group may comprise one, two or three rings and which HetA group is optionally substituted by one or more R4b substituents; B represents a Cy 2 or Het B ; Cy 2 represents a 3- to 10-membered aromatic, fully saturated or partially unsaturated carbocyclic ring system comprising one or two rings, which Cy 2 group is optionally substituted by one or more R 4c substituents; Het B represents a 3- to 10-membered heterocyclic group that may be aromatic, fully saturated or partially unsaturated, and which contains one or more heteroatoms selected from O, S and N, which heterocyclic group may comprise one or two rings and which Het B group is optionally substituted by one or more R 4d substituents.

  根据本发明提供了一种A1式化合物，该化合物可能有用于治疗通过抑制A1-A2bor，特别是A2a受体而改善的疾病或疾病状态，其中A1式化合物具有以下结构，其中A代表Cy1或HetA；Cy1代表一个5到14个成员的芳香族、完全饱和或部分不饱和的碳环状环系，包括一个、两个或三个环，该Cy1基团可以被一个或多个R4a取代；HetA代表一个5到14个成员的杂环基团，可能是芳香族、完全饱和或部分不饱和的，并且其中包含一个或多个从O、S和N中选择的杂原子，该杂环基团可以包括一个、两个或三个环，该HetA基团可以被一个或多个R4b取代；B代表Cy2或HetB；Cy2代表一个3到10个成员的芳香族、完全饱和或部分不饱和的碳环状环系，包括一个或两个环，该Cy2基团可以被一个或多个R4c取代；HetB代表一个3到10个成员的杂环基团，可能是芳香族、完全饱和或部分不饱和的，并且其中包含一个或多个从O、S和N中选择的杂原子，该杂环基团可以包括一个或两个环，该HetB基团可以被一个或多个R4d取代。
• 1,2,4-triazine-4-amine derivatives
  申请人：Heptares Therapeutics Limited

  公开号：US10112923B2

  公开（公告）日：2018-10-30

  According to the invention there is provided a compound of formula A1 which may be useful in the treatment of a condition or disorder ameliorated by the inhibition of the A1-A2b or, particularly, the A2a receptor wherein the compound of formula A1 has the structure, wherein, A represents Cy1 or HetA; Cy1 represents a 5- to 14-membered aromatic, fully saturated or partially unsaturated carbocylic ring system comprising one, two or three rings, which Cy1 group is optionally substituted by one or more R4a substituents; HetA represents a 5- to 14-membered heterocyclic group that may be aromatic, fully saturated or partially unsaturated, and which contains one or more heteroatoms selected from O, S and N, which heterocyclic group may comprise one, two or three rings and which HetA group is optionally substituted by one or more R4b substituents; B represents a Cy2 or HetB; Cy2 represents a 3- to 10-membered aromatic, fully saturated or partially unsaturated carbocyclic ring system comprising one or two rings, which Cy2 group is optionally substituted by one or more R4c substituents; HetB represents a 3- to 10-membered heterocyclic group that may be aromatic, fully saturated or partially unsaturated, and which contains one or more heteroatoms selected from O, S and N, which heterocyclic group may comprise one or two rings and which HetB group is optionally substituted by one or more R4d substituents.

  根据本发明，提供了一种式 A1 的化合物，该化合物可用于治疗通过抑制 A1-A2b 或特别是 A2a 受体而改善的病症或紊乱，其中式 A1 的化合物具有如下结构，其中，A 代表 Cy1 或 HetA；Cy1 代表由一个、两个或三个环组成的 5 至 14 元芳香族、完全饱和或部分不饱和碳环系统，该 Cy1 基团任选被一个或多个 R4a 取代基取代；HetA 代表 5 至 14 元杂环基团，可以是芳香族、完全饱和或部分不饱和的杂环基团，含有一个或多个选自 O、S 和 N 的杂原子，该杂环基团可以包括一个、两个或三个环，该 HetA 基团任选被一个或多个 R4b 取代基取代；B 代表 Cy2 或 HetB；Cy2 代表由一个或两个环组成的 3 至 10 元芳香族、完全饱和或 部分不饱和碳环系统，其 Cy2 基团可任选被一个或多个 R4c 取代基取代；HetB 代表 3 至 10 元杂环基团，可以是芳香族、完全饱和或部分不饱和的杂环基团，其中含有一个或多个选自 O、S 和 N 的杂原子，该杂环基团可包括一个或两个环，该 HetB 基团可任选被一个或多个 R4d 取代基取代。
• US8809525B2
  申请人：——

  公开号：US8809525B2

  公开（公告）日：2014-08-19